tert-butyl N-[1-[[azanyl-[(4-methylphenyl)sulfonylamino]methylidene]amino]-5-oxidanylidene-oct-7-en-4-yl]carbamate

Systemtic Name: tert-butyl N-[1-[[azanyl-[(4-methylphenyl)sulfonylamino]methylidene]amino]-5-oxidanylidene-oct-7-en-4-yl]carbamate Openeye Name: tert-butyl N-[1-[3-[[amino-(p-tolylsulfonylamino)methylene]amino]propyl]-2-oxo-pent-4-enyl]carbamate CAS Name: N-[1-[[amino-[(4-methylphenyl)sulfonylamino]methylidene]amino]-5-oxooct-7-en-4-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-[[amino-[(4-methylphenyl)sulfonylamino]methylidene]amino]-5-oxooct-7-en-4-yl]carbamate Traditional Name: N-[1-[3-[[amino-(tosylamino)methylene]amino]propyl]-2-keto-pent-4-enyl]carbamic acid tert-butyl ester Formula: C21H32N4O5S MolecularWeight: 452.56758

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(=NCCCC(C(=O)CC=C)NC(=O)OC(C)(C)C)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(=NCCCC(C(=O)CC=C)NC(=O)OC(C)(C)C)N

InChI

InChI=1S/C21H32N4O5S/c1-6-8-18(26)17(24-20(27)30-21(3,4)5)9-7-14-23-19(22)25-31(28,29)16-12-10-15(2)11-13-16/h6,10-13,17H,1,7-9,14H2,2-5H3,(H,24,27)(H3,22,23,25)